2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methyl-propanamide

Systemtic Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methyl-propanamide Openeye Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methyl-propanamide CAS Name: 2-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide IUPAC Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide Traditional Name: 2-[4-(3-bromophenyl)sulfonylpiperazino]-N-(3-fluorobenzyl)-N-methyl-propionamide Formula: C21H25BrFN3O3S MolecularWeight: 498.408903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC(=CC=C1)F)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C(=O)N(C)CC1=CC(=CC=C1)F)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H25BrFN3O3S/c1-16(21(27)24(2)15-17-5-3-7-19(23)13-17)25-9-11-26(12-10-25)30(28,29)20-8-4-6-18(22)14-20/h3-8,13-14,16H,9-12,15H2,1-2H3